UCSF

ZINC19527220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 Yes

Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(4-pyridylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-yl]-…

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.49 9.96 -38.03 1 3 1 21 378.462 8 ↓
Hi High (pH 8-9.5) 3.49 8.27 -5.02 0 3 0 19 377.454 8 ↓
Mid Mid (pH 6-8) 3.49 11.42 -36.42 1 3 1 21 378.462 8 ↓
Lo Low (pH 4.5-6) 3.49 11.86 -89.97 2 3 2 22 379.47 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.